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1-Butyl-2-methylindole
SpectraBase Compound ID F6D2o7z7WgJ
InChI InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3
InChIKey OPAHUBUOHKIOOL-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DliPT3kzaCm
Name 1-Butyl-2-methylindole
CAS Registry Number 42951-35-9
Classification Pharmaceutical drug precursor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 187.136099551 u
Formula C13H17N
InChI InChI=1S/C13H17N/c1-3-4-9-14-11(2)10-12-7-5-6-8-13(12)14/h5-8,10H,3-4,9H2,1-2H3
InChIKey OPAHUBUOHKIOOL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 187.286 g/mol
Nominal Mass 187 u
Quality 993
Retention Index 1618
SMILES C=12N(C(=CC2=CC=CC1)C)CCCC
SPLASH splash10-0006-2900000000-537da6d27e5f95fbb80d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1H-Indole,1-butyl,2-methyl 1-butyl-2-methyl-1H-indole
Technique GC/MS
Wiley ID DD2024_032570